(2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol

C27H30O5 — CID 25208781

IUPAC(2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol
SMILESOC[C@@H](OCc1ccccc1)[C@@H]1OC[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H30O5/c28-16-24(29-17-21-10-4-1-5-11-21)26-27(31-19-23-14-8-3-9-15-23)25(20-32-26)30-18-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25+,26+,27-/m1/s1
InChIKeyXYURWPJCLGOSKG-LGTXBLIGSA-N
MW434.53 g/mol
LogP4.13
Rot. Bonds11

About (2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol

(2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol (PubChem CID 25208781) has the molecular formula C27H30O5 and a molecular weight of 434.53 g/mol. Its IUPAC name is (2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol.

Molecular Properties

Compound Name(2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol
PubChem CID25208781
Molecular FormulaC27H30O5
Molecular Weight434.53 g/mol
Exact Mass434.21
IUPAC Name(2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol
SMILESOC[C@@H](OCc1ccccc1)[C@@H]1OC[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H30O5/c28-16-24(29-17-21-10-4-1-5-11-21)26-27(31-19-23-14-8-3-9-15-23)25(20-32-26)30-18-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25+,26+,27-/m1/s1
InChIKeyXYURWPJCLGOSKG-LGTXBLIGSA-N
XLogP4.13
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R)-2-[(1S)-2-hydroxy-1-phenylmethoxyethyl]-4-phenylmethoxyoxolan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] hydrogen sulfate
CID 25208623
(2S,3R,4S,5R)-2-chloro-3,4,5-tris(phenylmethoxy)oxane
CID 129175845
(1S,4R,5R,6R)-7,7-dichloro-4,5-bis(phenylmethoxy)-2-oxabicyclo[4.1.0]heptane
CID 10595861
[(3R,4R,5R)-5-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-2-oxo-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate
CID 100914933
2-[[(3R,3aR,6S,6aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]ethanol
CID 146629320
(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 25208780
(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
dibenzyl [(2R,3S,4S,5S,6S)-6-[(1R)-2-hydroxy-1-phenylmethoxyethyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl] phosphate
CID 170242078
(4R,5R,6R)-6-[(1R)-1,2-bis(phenylmethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-2-one
CID 10896942
(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 144531993
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
(3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine
CID 71524271

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol?
The IUPAC name of (2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol (CID 25208781) is (2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol.
What is the SMILES notation for (2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol?
The canonical SMILES for (2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol is OC[C@@H](OCc1ccccc1)[C@@H]1OC[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol?
The InChIKey is XYURWPJCLGOSKG-LGTXBLIGSA-N. The full InChI is InChI=1S/C27H30O5/c28-16-24(29-17-21-10-4-1-5-11-21)26-27(31-19-23-14-8-3-9-15-23)25(20-32-26)30-18-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25+,26+,27-/m1/s1.
What are the key properties of (2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol?
(2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol has a molecular weight of 434.53 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol is sourced from PubChem (CID 25208781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).